In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2006 | 30 | No |
Popular Name: 3-(4-ethoxyphenyl)-1-[(4-isopropylphenyl)methyl]-1-(3-pyridylmethyl)thiourea 3-(4-ethoxyphenyl)-1-[(4-isoprop…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.10 | 14.4 | -14.22 | 1 | 4 | 0 | 37 | 419.594 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.10 | 14.86 | -54.37 | 2 | 4 | 1 | 39 | 420.602 | 10 | ↓ |